dimethyl 2-cyano-3-(2,4,5-trifluorophenyl)pentanedioate | 882856-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl 2-cyano-3-(2,4,5-trifluorophenyl)pentanedioate
• CAS: 882856-64-6
• 化学式: C₁₄H₁₂F₃NO₄
• 分子量: 315.249
• InChiKey: NWWLJUQEKDGEFF-UHFFFAOYSA-N

物化性质

• 沸点：
  396.8±42.0 °C(Predicted)
• 密度：
  1.339±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  dimethyl 2-cyano-3-(2,4,5-trifluorophenyl)pentanedioate 在 platinum(IV) oxide 、 palladium dihydroxide 盐酸 、 lithium hydroxide 、 叠氮磷酸二苯酯 、 硼烷 、 氢气 、 sodium hexamethyldisilazane 、 potassium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， -78.0~60.0 ℃ 、344.75 kPa 条件下， 生成
  参考文献：
  名称：

  发现3-氨基哌啶为有效，选择性和口服生物利用的二肽基肽酶IV抑制剂。

  摘要：

  评价取代的3-氨基哌啶3作为DPP-4抑制剂。与其他肽酶（QPP，DPP8和DPP9）相比，该抑制剂具有良好的DPP-4效力和极高的选择性。进一步评估了选定的DPP-4抑制剂的hERG钾通道，钙通道，Cyp2D6和药代动力学特征。

  DOI：

  10.1016/j.bmcl.2007.05.087
• 作为产物：
  描述：

  2,4,5-三氟苯甲醛 在 sodium methylate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 生成 dimethyl 2-cyano-3-(2,4,5-trifluorophenyl)pentanedioate
  参考文献：
  名称：

  发现3-氨基哌啶为有效，选择性和口服生物利用的二肽基肽酶IV抑制剂。

  摘要：

  评价取代的3-氨基哌啶3作为DPP-4抑制剂。与其他肽酶（QPP，DPP8和DPP9）相比，该抑制剂具有良好的DPP-4效力和极高的选择性。进一步评估了选定的DPP-4抑制剂的hERG钾通道，钙通道，Cyp2D6和药代动力学特征。

  DOI：

  10.1016/j.bmcl.2007.05.087

文献信息

• Fused Aminopiperidines as Dipeptidyl Peptidase-4 Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox Jason M.

  公开号：US20090233936A1

  公开（公告）日：2009-09-17

  The present invention is directed to novel substituted fused aminopiperidines of structural formula (I) which are inhibitors of the dipeptidyl peptidase-4 enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-4 enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-4 enzyme is involved.

  本发明涉及一种新颖的结构式（I）的取代融合氨基哌啶，其是二肽基肽酶-4酶的抑制剂，并且在治疗或预防二肽基肽酶-4酶参与的疾病中，例如糖尿病和特别是2型糖尿病中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗二肽基肽酶-4酶参与的这些疾病中的使用。
• Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox M. Jason

  公开号：US20080076773A1

  公开（公告）日：2008-03-27

  The present invention is directed to novel substituted aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代氨基哌啶，它是二肽基肽酶-IV酶（“DPP-IV酶”）的抑制剂，并且在治疗或预防DPP-IV酶参与的疾病，如糖尿病，尤其是2型糖尿病方面具有用处。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物和组合物在预防或治疗DPP-IV酶参与的这些疾病方面的用途。
• Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox Jason M.

  公开号：US20090258894A1

  公开（公告）日：2009-10-15

  The present invention is directed to novel substituted fused aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及新型取代融合氨基哌啶类化合物，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶涉及的疾病，例如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶-IV酶涉及的这些疾病中使用这些化合物和组合物。
• Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Edmondson D. Scott

  公开号：US20080009510A1

  公开（公告）日：2008-01-10

  The present invention is directed to novel substituted fused aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代融合氨基哌啶，它们是二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶参与的疾病，如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶-IV酶参与的这类疾病中使用这些化合物和组合物的用途。
• Aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07884104B2

  公开（公告）日：2011-02-08

  The present invention is directed to novel substituted aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及新型取代氨基哌啶类化合物，它们是二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防涉及二肽基肽酶-IV酶的疾病，如糖尿病，尤其是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在涉及二肽基肽酶-IV酶的这种疾病的预防或治疗中使用这些化合物和组合物。